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BMS-986318

CAT: 0013-GTR19210331-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210331-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-986318
CAS Number
2314378-09-9
Field of Research
Metabolism Research
Smiles
ClC=1C (C=2C (C=3CC4 (C3) CCN (CC4) C5=CC6=C (C=C5) N=C (C (O) =O) C=C6C (F) (F) F) =C (ON2) C7CC7) =C (Cl) C=NC1
Molecular Formula
C30H23Cl2F3N4O3
Molecular Weight
615.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-986318
CAS Number2314378-09-9
PubChem CID138592025
IUPAC Name6-[2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-(trifluoromethyl)quinoline-2-carboxylic acid
Molecular FormulaC30H23Cl2F3N4O3
Molecular Weight615.4
XLogP6.5
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity1060
SMILES
C1CC1C2=C(C(=NO2)C3=C(C=NC=C3Cl)Cl)C4=CC5(C4)CCN(CC5)C6=CC7=C(C=C6)N=C(C=C7C(F)(F)F)C(=O)O
InChI
InChI=1S/C30H23Cl2F3N4O3/c31-20-13-36-14-21(32)25(20)26-24(27(42-38-26)15-1-2-15)16-11-29(12-16)5-7-39(8-6-29)17-3-4-22-18(9-17)19(30(33,34)35)10-23(37-22)28(40)41/h3-4,9-11,13-15H,1-2,5-8,12H2,(H,40,41)
InChIKey
WPGAVSDZYIRUGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-986318
CAS: 2314378-09-9
CID: 138592025
Formula: C30H23Cl2F3N4O3
MW: 615.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.4
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass614.1099305
Monoisotopic Mass614.1099305
Topological Polar Surface Area92.4 Ų
Heavy Atom Count42
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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